SCHEMBL16340010

SCHEMBL16340010

COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)N3CCCCCN3)nn1-c1ccsc1)CO2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 1/20 0.30
▸ MAOB P27338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29670724 0.88 UGCG (0.44) UGCG
SCHEMBL16339415 0.88 UGCG (0.44) UGCG
SCHEMBL16377975 0.85 CCNA2 (0.36) —
SCHEMBL16377935 0.82 CCNA2 (0.40) —
SCHEMBL16340259 0.82 SCD5 (0.35) UGCG
SCHEMBL17381959 0.81 — —
SCHEMBL17789666 0.81 PIK3CD (0.33) UGCG
SCHEMBL30681663 0.81 — —
SCHEMBL16377960 0.81 PDE7A (0.31) —
SCHEMBL16339523 0.81 ALDH1A1 (0.36) UGCG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
EP-3013832-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 — — EP disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
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